REMARK VINA RESULT: -2.6 2.761 9.129 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 -6.707 -4.032 6.996 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -11.338 -2.241 5.434 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.466 -1.305 2.812 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -6.937 -0.215 1.038 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -5.704 -0.073 1.938 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -8.164 -0.235 1.952 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -6.775 -1.838 3.406 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -8.026 -1.266 3.067 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -6.737 -2.803 4.440 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -9.164 -1.610 3.817 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -7.875 -3.112 5.218 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -9.091 -2.521 4.888 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -7.798 -3.938 6.451 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -10.290 -2.828 5.677 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -9.020 -4.475 7.112 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -10.234 -3.864 6.735 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -9.063 -5.461 8.125 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -11.453 -4.187 7.359 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -10.305 -5.764 8.729 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -11.488 -5.135 8.365 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.705 -2.355 2.160 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.494 -1.914 1.499 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.753 -1.063 0.371 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.203 -1.714 -0.823 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.216 -2.812 -1.267 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -4.373 -0.645 -1.904 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.041 -3.800 -0.097 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -2.522 -3.039 1.124 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -1.934 -2.266 -1.622 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.286 -2.995 -1.615 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -2.107 -4.887 -0.414 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -1.524 -5.077 0.403 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.650 -5.746 -0.542 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 -6.963 1.005 0.097 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.596 0.928 -1.083 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.427 2.346 0.648 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -6.353 2.994 1.326 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -6.750 3.739 1.820 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 -6.910 -1.411 0.260 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -6.104 -1.450 -0.288 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -5.552 -3.453 4.674 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.079 -2.991 5.390 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -10.336 -0.973 3.486 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -10.325 -0.068 3.876 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -8.120 -6.260 8.701 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.406 -7.456 9.394 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11